Quote:Edoapra Jul 31st 9:48 amDouDou,
It's hard to tell if your NWChem binary was built with MPI or not since there are no symbols in it.
Do you know who installed it? Can you get some details about the installation?
Anyhow, could you please send me the output of the following commands
dpkg-query -S /usr/bin/nwchem
dpg-query -s nwchem
dpkg-query -l 'nwchem*'
ldd /usr/bin/nwchem
I installed NWChem from the Ubuntu software center. I have uninstalled though and now trying to build NWChem from source with OpenMPI 1.6.
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